Chemical Properties of n-C4H9SCH2CH=CH2

InChI

InChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3

InChI Key

HXMYUSWENPCWFT-UHFFFAOYSA-N

Formula

C7H14S

SMILES

C=CCSCCCC

Molecular Weight¹

130.26

Other Names

• 4-thia-1-octene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2807		Relay (1.0) Calculated Property
ΔfG°	129.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.74	kJ/mol	Joback Calculated Property
ΔvapH°	49.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.706		Crippen Calculated Property
McVol	121.540	ml/mol	McGowan Calculated Property
Pc	2982.79	kPa	Joback Calculated Property
Inp	[967.00; 967.00]
Inp	967.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Tboil	431.65	K	Relay (1.0) Calculated Property
Tc	622.58	K	Relay (1.0) Calculated Property
Tfus	172.74	K	Relay (1.0) Calculated Property
Vc	0.434	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.67; 378.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.31340e+01
Coefficient B			6.43210e-01
Coefficient C			-3.39700e-04
Coefficient D			6.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.67	J/mol×K	273.00	Calculated Property
Cp,gas	200.91	J/mol×K	353.78	Calculated Property
Cp,gas	233.58	J/mol×K	434.56	Calculated Property
Cp,gas	262.86	J/mol×K	515.33	Calculated Property
Cp,gas	288.96	J/mol×K	596.11	Calculated Property
Cp,gas	312.07	J/mol×K	676.89	Calculated Property
Cp,gas	332.39	J/mol×K	757.67	Calculated Property
Cp,gas	350.11	J/mol×K	838.44	Calculated Property
Cp,gas	365.43	J/mol×K	919.22	Calculated Property
Cp,gas	378.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to n-C4H9SCH2CH=CH2.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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